Sodium methanesulfonothioate | SBID = 1066 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 80.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | CH3NaO2S2 | ||
| M / g/mol: | 134.16 | ||
| Complexity: | 113.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, charged
- Name: Sodium methanesulfonothioate
- Preferred Abbreviation: Sodium methanethiosulfonate
- IUPAC Name: sodium;methyl-oxido-oxo-sulfanylidene-lambda6-sulfane
- CAS: 1950-85-2
- CID: 23688755
- InChiKey: JFTZUZWJGUCSTE-UHFFFAOYSA-M
- InChi: InChI=1S/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
- CanoSmiles: CS(=O)(=S)[O-].[Na+]
- IsoSmiles: CS(=O)(=S)[O-].[Na+]
